SCHEMBL24623218

SCHEMBL24623218

CCOC(=O)Nc1ccc2c(CCNC(=O)C(C)(C)C)cc(=O)oc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.63
▸ HPGD P15428 7/20 0.63
▸ KDM4E B2RXH2 6/20 0.63
▸ NPC1 O15118 4/20 0.63
▸ HSD17B10 Q99714 4/20 0.63
▸ RAB9A P51151 3/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ RXFP1 Q9HBX9 1/20 0.57
▸ POLB P06746 3/20 0.55
▸ GAA P10253 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ CASP3 P42574 1/20 0.53
▸ SENP8 Q96LD8 1/20 0.53
▸ SENP7 Q9BQF6 1/20 0.53
▸ SENP6 Q9GZR1 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ CA12 O43570 2/20 0.51
▸ CA1 P00915 2/20 0.51
▸ CA9 Q16790 2/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22632089 0.89 ALDH1A1 (0.67) ALDH1A1HPGDKDM4ENPC1HSD17B10
SCHEMBL24623222 0.88 HPGD (0.65) ALDH1A1HPGDKDM4ENPC1HSD17B10
SCHEMBL22632085 0.86 ALDH1A1 (0.69) ALDH1A1HPGDKDM4ENPC1HSD17B10
SCHEMBL6227542 0.81 ALDH1A1 (0.74) ALDH1A1HPGDKDM4ENPC1HSD17B10
SCHEMBL24623214 0.79 MTNR1A (0.64) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL24623269 0.79 RAD52 (0.45) ALDH1A1HPGDKDM4EHSD17B10RXFP1
SCHEMBL24623284 0.79 SLC18A1 (0.48) ALDH1A1HPGDKDM4EHSD17B10GAA
SCHEMBL24623271 0.78 POLB (0.53) ALDH1A1HPGDKDM4ENPC1HSD17B10
SCHEMBL12987100 0.78 ALDH1A1 (1.00) ALDH1A1HPGDKDM4ENPC1HSD17B10
SCHEMBL24623285 0.77 ALDH1A1 (0.44) ALDH1A1HPGDKDM4ENPC1HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220218722-A1 COUMARIN-MODIFIED ANDROGENS FOR THE TREATMENT OF PROSTATE CANCER UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2022-07-14 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220218722-A1 COUMARIN-MODIFIED ANDROGENS FOR THE TREATMENT OF PROSTATE CANCER AR, SHBG, NCOA1 ALDH1A1 1280/4885HPGD 108/4885KDM4E 4644/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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